Benzoic acid, 3,4,5-trimethoxy-, 7-nitro-8-quinolinyl ester

HCID 206997

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Basic information

CAS: 29007-21-4
Standard SMILES: COc1cc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)cc(OC)c1OC
InChIKey: MTVQUUXMYNYRNA-UHFFFAOYSA-N
Molecular formula: C19H16N2O7
Average molar mass: 384.3 g/mol
Monoisotopic mass: 384.09575085

Names & identifiers

Preferred name: Benzoic acid, 3,4,5-trimethoxy-, 7-nitro-8-quinolinyl ester
IUPAC: (7-nitroquinolin-8-yl) 3,4,5-trimethoxybenzoate

Names & synonyms

BRN 1554998Benzoic acid, 3,4,5-trimethoxy-, 7-nitro-8-quinolinyl ester8-Quinolinol, 7-nitro-, 3,4,5-trimethoxybenzoate29007-21-4DTXSID00183241RefChem:327011DTXCID10105732SCHEMBL44601107-nitroquinolin-8-yl 3,4,5-trimethoxybenzoate

Database identifiers

CAS: 29007-21-4
PubChem CID: 206997
DTXSID: DTXSID00183241

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 113 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 541

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